Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50033468 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM28583
(5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-...)Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1 Show InChI InChI=1S/C20H22ClN3O3S2/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24/h3-6,11-12,22-23H,7-10H2,1-2H3 | PDB
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PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 19: 3214-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.108
BindingDB Entry DOI: 10.7270/Q2377927 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM34141
(CHEMBL76237 | MS-245)Show SMILES COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C19H22N2O3S/c1-20(2)12-11-15-14-21(19-10-9-16(24-3)13-18(15)19)25(22,23)17-7-5-4-6-8-17/h4-10,13-14H,11-12H2,1-3H3 | PDB
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 19: 3214-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.108
BindingDB Entry DOI: 10.7270/Q2377927 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50345980
(3-(1-methylpiperidin-4-yl)-5-(naphthalen-1-ylsulfo...)Show SMILES CN1CCC(CC1)c1n[nH]c2ccc(cc12)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C23H23N3O2S/c1-26-13-11-17(12-14-26)23-20-15-18(9-10-21(20)24-25-23)29(27,28)22-8-4-6-16-5-2-3-7-19(16)22/h2-10,15,17H,11-14H2,1H3,(H,24,25) | PDB
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| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 19: 3214-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.108
BindingDB Entry DOI: 10.7270/Q2377927 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50345981
(3-(1-methylpiperidin-4-yl)-5-(naphthalen-2-ylsulfo...)Show SMILES CN1CCC(CC1)c1n[nH]c2ccc(cc12)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C23H23N3O2S/c1-26-12-10-17(11-13-26)23-21-15-20(8-9-22(21)24-25-23)29(27,28)19-7-6-16-4-2-3-5-18(16)14-19/h2-9,14-15,17H,10-13H2,1H3,(H,24,25) | PDB
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| 9.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 19: 3214-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.108
BindingDB Entry DOI: 10.7270/Q2377927 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50090524
(4-Amino-N-(2,6-bis-methylamino-pyridin-4-yl)-benze...)Show InChI InChI=1S/C13H17N5O2S/c1-15-12-7-10(8-13(16-2)17-12)18-21(19,20)11-5-3-9(14)4-6-11/h3-8H,14H2,1-2H3,(H3,15,16,17,18) | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 19: 3214-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.108
BindingDB Entry DOI: 10.7270/Q2377927 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50345977
(5-(4-isopropylphenylsulfonyl)-3-(1-methylpiperidin...)Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)c1ccc2[nH]nc(C3CCN(C)CC3)c2c1 Show InChI InChI=1S/C22H27N3O2S/c1-15(2)16-4-6-18(7-5-16)28(26,27)19-8-9-21-20(14-19)22(24-23-21)17-10-12-25(3)13-11-17/h4-9,14-15,17H,10-13H2,1-3H3,(H,23,24) | PDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 19: 3214-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.108
BindingDB Entry DOI: 10.7270/Q2377927 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50345972
(5-(3-chlorophenylsulfonyl)-3-(1-methylpiperidin-4-...)Show SMILES CN1CCC(CC1)c1n[nH]c2ccc(cc12)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C19H20ClN3O2S/c1-23-9-7-13(8-10-23)19-17-12-16(5-6-18(17)21-22-19)26(24,25)15-4-2-3-14(20)11-15/h2-6,11-13H,7-10H2,1H3,(H,21,22) | PDB
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 19: 3214-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.108
BindingDB Entry DOI: 10.7270/Q2377927 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50345976
(3-(1-methylpiperidin-4-yl)-5-(4-(trifluoromethyl)p...)Show SMILES CN1CCC(CC1)c1n[nH]c2ccc(cc12)S(=O)(=O)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C20H20F3N3O2S/c1-26-10-8-13(9-11-26)19-17-12-16(6-7-18(17)24-25-19)29(27,28)15-4-2-14(3-5-15)20(21,22)23/h2-7,12-13H,8-11H2,1H3,(H,24,25) | PDB
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| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 19: 3214-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.108
BindingDB Entry DOI: 10.7270/Q2377927 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50345978
(3-(1-methylpiperidin-4-yl)-5-(4-(trifluoromethoxy)...)Show SMILES CN1CCC(CC1)c1n[nH]c2ccc(cc12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C20H20F3N3O3S/c1-26-10-8-13(9-11-26)19-17-12-16(6-7-18(17)24-25-19)30(27,28)15-4-2-14(3-5-15)29-20(21,22)23/h2-7,12-13H,8-11H2,1H3,(H,24,25) | PDB
Reactome pathway
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PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 19: 3214-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.108
BindingDB Entry DOI: 10.7270/Q2377927 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50345971
(3-(1-methylpiperidin-4-yl)-5-(m-tolylsulfonyl)-1H-...)Show SMILES CN1CCC(CC1)c1n[nH]c2ccc(cc12)S(=O)(=O)c1cccc(C)c1 Show InChI InChI=1S/C20H23N3O2S/c1-14-4-3-5-16(12-14)26(24,25)17-6-7-19-18(13-17)20(22-21-19)15-8-10-23(2)11-9-15/h3-7,12-13,15H,8-11H2,1-2H3,(H,21,22) | PDB
Reactome pathway
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| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 19: 3214-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.108
BindingDB Entry DOI: 10.7270/Q2377927 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50345974
(3-(1-methylpiperidin-4-yl)-5-(phenylsulfonyl)-1H-i...)Show SMILES CN1CCC(CC1)c1n[nH]c2ccc(cc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C19H21N3O2S/c1-22-11-9-14(10-12-22)19-17-13-16(7-8-18(17)20-21-19)25(23,24)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,20,21) | PDB
Reactome pathway
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| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 19: 3214-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.108
BindingDB Entry DOI: 10.7270/Q2377927 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50090528
(4-Amino-N-(2,6-bis-dimethylamino-pyrimidin-4-yl)-b...)Show InChI InChI=1S/C12H16N6O2S/c1-14-10-7-11(17-12(15-2)16-10)18-21(19,20)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H3,14,15,16,17,18) | PDB
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| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 19: 3214-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.108
BindingDB Entry DOI: 10.7270/Q2377927 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50345975
(5-(4-fluorophenylsulfonyl)-3-(1-methylpiperidin-4-...)Show SMILES CN1CCC(CC1)c1n[nH]c2ccc(cc12)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C19H20FN3O2S/c1-23-10-8-13(9-11-23)19-17-12-16(6-7-18(17)21-22-19)26(24,25)15-4-2-14(20)3-5-15/h2-7,12-13H,8-11H2,1H3,(H,21,22) | PDB
Reactome pathway
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PC sid
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PubMed
| 66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 19: 3214-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.108
BindingDB Entry DOI: 10.7270/Q2377927 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50345973
(5-(3-fluorophenylsulfonyl)-3-(1-methylpiperidin-4-...)Show SMILES CN1CCC(CC1)c1n[nH]c2ccc(cc12)S(=O)(=O)c1cccc(F)c1 Show InChI InChI=1S/C19H20FN3O2S/c1-23-9-7-13(8-10-23)19-17-12-16(5-6-18(17)21-22-19)26(24,25)15-4-2-3-14(20)11-15/h2-6,11-13H,7-10H2,1H3,(H,21,22) | PDB
Reactome pathway
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PC sid
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| 93 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 19: 3214-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.108
BindingDB Entry DOI: 10.7270/Q2377927 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50345979
(5-(4-methoxyphenylsulfonyl)-3-(1-methylpiperidin-4...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc2[nH]nc(C3CCN(C)CC3)c2c1 Show InChI InChI=1S/C20H23N3O3S/c1-23-11-9-14(10-12-23)20-18-13-17(7-8-19(18)21-22-20)27(24,25)16-5-3-15(26-2)4-6-16/h3-8,13-14H,9-12H2,1-2H3,(H,21,22) | PDB
Reactome pathway
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| 123 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 19: 3214-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.108
BindingDB Entry DOI: 10.7270/Q2377927 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50345981
(3-(1-methylpiperidin-4-yl)-5-(naphthalen-2-ylsulfo...)Show SMILES CN1CCC(CC1)c1n[nH]c2ccc(cc12)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C23H23N3O2S/c1-26-12-10-17(11-13-26)23-21-15-20(8-9-22(21)24-25-23)29(27,28)19-7-6-16-4-2-3-5-18(16)14-19/h2-9,14-15,17H,10-13H2,1H3,(H,24,25) | PDB
Reactome pathway
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Similars
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PubMed
| n/a | n/a | 102 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT6 receptor expressed in HeLa cells assessed as inhibition of 5-HT-induced cAMP accumulation |
Bioorg Med Chem Lett 19: 3214-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.108
BindingDB Entry DOI: 10.7270/Q2377927 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50345977
(5-(4-isopropylphenylsulfonyl)-3-(1-methylpiperidin...)Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)c1ccc2[nH]nc(C3CCN(C)CC3)c2c1 Show InChI InChI=1S/C22H27N3O2S/c1-15(2)16-4-6-18(7-5-16)28(26,27)19-8-9-21-20(14-19)22(24-23-21)17-10-12-25(3)13-11-17/h4-9,14-15,17H,10-13H2,1-3H3,(H,23,24) | PDB
Reactome pathway
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 108 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT6 receptor expressed in HeLa cells assessed as inhibition of 5-HT-induced cAMP accumulation |
Bioorg Med Chem Lett 19: 3214-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.108
BindingDB Entry DOI: 10.7270/Q2377927 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50345980
(3-(1-methylpiperidin-4-yl)-5-(naphthalen-1-ylsulfo...)Show SMILES CN1CCC(CC1)c1n[nH]c2ccc(cc12)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C23H23N3O2S/c1-26-13-11-17(12-14-26)23-20-15-18(9-10-21(20)24-25-23)29(27,28)22-8-4-6-16-5-2-3-7-19(16)22/h2-10,15,17H,11-14H2,1H3,(H,24,25) | PDB
Reactome pathway
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 251 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT6 receptor expressed in HeLa cells assessed as inhibition of 5-HT-induced cAMP accumulation |
Bioorg Med Chem Lett 19: 3214-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.108
BindingDB Entry DOI: 10.7270/Q2377927 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50345972
(5-(3-chlorophenylsulfonyl)-3-(1-methylpiperidin-4-...)Show SMILES CN1CCC(CC1)c1n[nH]c2ccc(cc12)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C19H20ClN3O2S/c1-23-9-7-13(8-10-23)19-17-12-16(5-6-18(17)21-22-19)26(24,25)15-4-2-3-14(20)11-15/h2-6,11-13H,7-10H2,1H3,(H,21,22) | PDB
Reactome pathway
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| CHEMBL
PC cid
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UniChem
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PubMed
| n/a | n/a | 754 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT6 receptor expressed in HeLa cells assessed as inhibition of 5-HT-induced cAMP accumulation |
Bioorg Med Chem Lett 19: 3214-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.108
BindingDB Entry DOI: 10.7270/Q2377927 |
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Ligand-Target Pair | |
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